PC-Compounds ::= {
  {
    id {
      id cid 70491486
    },
    atoms {
      aid {
        1,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
        14,
        15,
        16,
        17,
        18,
        19,
        20,
        21,
        22,
        23,
        24,
        25,
        26,
        27,
        28,
        29,
        30,
        31,
        32,
        33
      },
      element {
        s,
        o,
        o,
        n,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      }
    },
    bonds {
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        1,
        1,
        2,
        2,
        3,
        4,
        4,
        5,
        5,
        5,
        5,
        6,
        6,
        6,
        7,
        7,
        7,
        8,
        8,
        8,
        9,
        9,
        9,
        10,
        10,
        13,
        13,
        14,
        15,
        15,
        16,
        16,
        17,
        17,
        18
      },
      aid2 {
        11,
        13,
        12,
        29,
        12,
        11,
        14,
        6,
        8,
        11,
        19,
        7,
        20,
        21,
        9,
        12,
        22,
        10,
        23,
        24,
        10,
        25,
        26,
        27,
        28,
        14,
        15,
        16,
        17,
        30,
        18,
        31,
        18,
        32,
        33
      },
      order {
        single,
        single,
        single,
        single,
        double,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        double,
        single,
        single,
        single,
        single,
        double,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 5,
        above 6,
        top 11,
        bottom 8,
        below 19,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 7,
        above 6,
        top 9,
        bottom 12,
        below 22,
        parity clockwise,
        type tetrahedral
      }
    },
    coords {
      {
        type {
          threed,
          computed,
          units-angstroms
        },
        aid {
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          2,
          3,
          4,
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          6,
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          8,
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          22,
          23,
          24,
          25,
          26,
          27,
          28,
          29,
          30,
          31,
          32,
          33
        },
        conformers {
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            y {
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            z {
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              { -5025, 10, -4 },
              { 17812, 10, -4 }
            },
            data {
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              {
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                },
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              {
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              {
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                  software "OEShape",
                  source "openeye.com",
                  release "2012.11.26"
                },
                value fvec {
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              {
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        data {
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            },
            value fval { 6, 10, -1 }
          },
          {
            urn {
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            },
            value ivec {
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    },
    props {
      {
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          label "Charge",
          name "MMFF94 Partial",
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          software "OEChem",
          source "openeye.com",
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        },
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      },
      {
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          release "2012.11.26"
        },
        value fval { 32, 10, -1 }
      },
      {
        urn {
          label "Features",
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          datatype stringlist,
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        },
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          "6 5 6 7 8 9 10 rings"
        }
      }
    },
    count {
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      atom-chiral 2,
      atom-chiral-def 2,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}